<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt">Dear and Respected Wien2k Users<br><br>I am using mBJ-GGA for my material . Kindly look at the error in Lapw1 and help me out .Thank you all<br>
<div style="font-family: times new roman, new york, times, serif; font-size: 12pt;"><div style="font-family: times new roman, new york, times, serif; font-size: 12pt;"><div id="yiv1046094552"><div><div style="color:#000;background-color:#fff;font-family:times new roman, new york, times, serif;font-size:12pt;"><div id="yiv1046094552"><div><div style="color:#000;background-color:#fff;font-family:times new roman, new york, times, serif;font-size:12pt;"><pre id="yiv1046094552yui_3_2_0_15_133624332390850"><br>Error in LAPW1<br> 'SELECT' - no energy limits found for L= 0 <br> 'SELECT' - E-bottom -200.00000 E-top -200.00000 <br><br><br><br> lapw1 (01:54:19) 19.810u 0.391s 0:20.38 99.1% 0+0k 0+4712io 0pf+0w
0.137225760363726
0.327645647739610 -0.518725469212405 tauwrong=
int:rho,tauw,grho,g2rho 0.164240579662098 0.163406130664494
0.137225760363726
0.327645647739610 -0.518725469212405 tauwrong=
int:rho,tauw,grho,g2rho 0.164240579662098 0.163406130664494
0.142892491614171
0.326760981969927 -0.511625126996716 tauwrong=
int:rho,tauw,grho,g2rho 0.165933711852180 0.160866556509427
0.142892491614171
0.326760981969927 -0.511625126996716 tauwrong=
int:rho,tauw,grho,g2rho 0.165933711852180 0.160866556509427
0.168931665733751
0.298687270252991 -0.121901018041424 tauwrong=
int:rho,tauw,grho,g2rho 0.130781536677752 0.170540291232026
0.168931665733751
0.298687270252991 -0.121901018041424 tauwrong=
int:rho,tauw,grho,g2rho 0.130781536677752 0.170540291232026
-3.224945352354070E-003
6.686042114493869E-004 -2.937908242106572E-003 tauwrong=
int:rho,tauw,grho,g2rho 6.577533799614926E-003 1.699085117563468E-005
-3.224945352354070E-003
6.686042114493869E-004 -2.937908242106572E-003 tauwrong=
int:rho,tauw,grho,g2rho 6.577533799614926E-003 1.699085117563468E-005
-6.075386356953882E-003
0.000000000000000E+000 -8.726802882126319E-003 tauwrong=
int:rho,tauw,grho,g2rho 6.603190775593834E-003 0.000000000000000E+000
-6.075386356953882E-003
0.000000000000000E+000 -8.726802882126319E-003 tauwrong=</pre><span></span></div></div></div></div></div></div><br><br> </div> </div> </div></body></html>